Focused On-demand Library for Homeobox protein SIX6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O95475

UPID:

SIX6_HUMAN

Alternative names:

Homeodomain protein OPTX2; Optic homeobox 2; Sine oculis homeobox homolog 6

Alternative UPACC:

O95475; Q6NT42; Q9P1X8

Background:

The Homeobox protein SIX6, also known as Homeodomain protein OPTX2, Optic homeobox 2, and Sine oculis homeobox homolog 6, plays a crucial role in eye development. This protein, encoded by the gene with the accession number O95475, is implicated in the intricate processes that shape the human eye, guiding the formation of key optical structures.

Therapeutic significance:

SIX6 is directly associated with Optic disk anomalies with retinal and/or macular dystrophy, a condition marked by optic nerve dysplasia, optic disk anomalies, chorioretinal dystrophy, and macular atrophy. Understanding the role of Homeobox protein SIX6 could open doors to potential therapeutic strategies for this ocular disorder, offering hope for targeted interventions.